3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
					Chemical Structure Depiction of
3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
			3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | K617-0137 | 
| Compound Name: | 3-bromo-N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)prop-1-en-2-yl]benzamide | 
| Molecular Weight: | 578.46 | 
| Molecular Formula: | C29 H28 Br N3 O5 | 
| Smiles: | COc1ccc(/C=C(/C(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)NC(c2cccc(c2)[Br])=O)cc1OC | 
| Stereo: | MIXTURE OF STEREOISOMERS | 
| logP: | 4.3172 | 
| logD: | 1.9317 | 
| logSw: | -4.4952 | 
| Hydrogen bond acceptors count: | 8 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 69.771 | 
| InChI Key: | WMIOLZHXVYHYJF-UHFFFAOYSA-N | 
 
				 
				